D027-0008 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-phenyl-1,3-thiazol-2-yl)propanamide

D027-0008 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-phenyl-1,3-thiazol-2-yl)propanamide
D027-0008 Screening compound: 3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-phenyl-1,3-thiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D027-0008
3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-phenyl-1,3-thiazol-2-yl)propanamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D027-0008

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

3-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)-N~1~-(4-phenyl-1,3-thiazol-2-yl)propanamide

IUPAC name

3-{35-dioxo-4-azatricyclo[5.2.1.0^{26}]dec-8-en-4-yl}-N-(4-phenyl-13-thiazol-2-yl)propanamide

SMILES

O=C(CCN(C(C1C2C3C=CC1C3)=O)C2=O)Nc1nc(-c2ccccc2)cs1

InChI

InChI=1S/C21H19N3O3S/c25-16(23-21-22-15(11-28-21)12-4-2-1-3-5-12)8-9-24-19(26)17-13-6-7-14(10-13)18(17)20(24)27/h1-7,11,13-14,17-18H,8-10H2,(H,22,23,25)

InChI Key

VBVXDWZISBBDPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07469953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.897

Distribution Coefficient, logD

2.897

Water Solubility, LogSw

-3.50

Polar Surface Area

63.239

Acid Dissociation Constant (pKa)

11.21

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

33.30

D027-0008 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D027-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D027-0008?
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What is the minimum amount of D027-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D027-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D027-0008
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D027-0008 available by request